#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:50:21 +0300 (Thu, 24 May 2018) $ #$Revision: 817 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000307.rod $ #------------------------------------------------------------------------------ # # This file is available in the Raman Open Database (ROD), # http://solsa.crystallography.net/rod/ # # All data on this site have been placed in the public domain by the # contributors. # data_1000307 loop_ _publ_author_name 'Leone, P.' 'Palvadeau, P.' 'Moelo, Y.' _publ_section_title ; Structure cristalline d'un nouvel hydroxyphosphate naturel de strontium, fer et aluminium (lulzacite), Sr2Fe(Fe0,63Mg0,37)2Al4(PO4)4(OH)10 ; _journal_name_full 'Chimie de l etat Solide et Cristallochimie' _journal_page_first 301 _journal_page_last 308 _journal_volume 3 _journal_year 2000 _chemical_compound_source 'Saint-Aubin-des-Chateaux, Loire-Atlantique, France' _chemical_formula_sum 'Al4 Ba0.08 Fe2.26 H4 Mg0.74 O26 P3.92 Sr1.92 V0.08' _chemical_name_mineral Lulzacite _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 108.47 _cell_angle_beta 91.72 _cell_angle_gamma 97.44 _cell_length_a 5.457 _cell_length_b 9.131 _cell_length_c 9.769 _cell_volume 456.500 _exptl_crystal_density_diffrn 3.553 _cod_original_formula_sum '(Sr1.92 Ba.08) (P3.92 V.08) Fe2.26 Al4 Mg.74 O26 H4' _cod_database_code 9014177 _raman_determination_method experimental _raman_measurement_device.location 'Arizona University' _raman_measurement_device.company 'Thermo Scientific' _raman_measurement_device.model 'Nicolet Almega XR' _raman_measurement_device.optics_type microscope _raman_measurement_device.microscope_system dispersive _raman_measurement_device.microscope_objective_magnification 50 _raman_measurement_device.microscope_numerical_aperture 0.5 _raman_measurement_device.excitation_laser_type other _raman_measurement_device.excitation_laser_wavelength 532 _raman_measurement_device.configuration simple _raman_measurement_device.resolution 4 _raman_measurement_device.power_on_sample 15 _raman_measurement_device.direction_polarization unoriented _raman_measurement_device.spot_size 1 _raman_measurement_device.diffraction_grating 400 _raman_measurement.environment Air _raman_measurement.environment_details ; The sample was measured in air. ; _raman_measurement.temperature 300 _raman_measurement.pressure 100 _raman_measurement.background_subtraction no _raman_measurement.background_subtraction_details ; No background subtraction method was applied. ; _raman_measurement.baseline_correction no _raman_measurement.baseline_correction_details ; No baseline correction method was applied. ; _raman_measurement.integration_time 10 _rod_data_source.file R110147.rod _rod_data_source.block 3500000 _rod_database.code 1000307 loop_ _raman_complementary.id _raman_complementary.method 1 XRD loop_ _raman_measurement_device_calibration.id _raman_measurement_device_calibration.standard 1 neon_lamp loop_ _rod_related_entry.id _rod_related_entry.code _rod_related_entry.database _rod_related_entry.uri _rod_related_entry.description 1 9014177 COD http://www.crystallography.net/cod/9014177.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 147.3820 0.0000000E+00 147.8641 0.2816640 148.3462 0.4520820 148.8283 0.7357130 149.3104 0.9460500 149.7925 1.528280 150.2747 1.817363 150.7568 1.193858 151.2389 0.6430890 151.7210 0.2124910 152.2031 0.1211890 152.6852 0.2707460 153.1674 9.7791001E-02 153.6495 0.2301090 154.1316 0.4740300 154.6137 0.5199720 155.0958 0.5603710 155.5779 0.6538880 156.0601 0.8154150 156.5422 1.000091 157.0243 1.227362 157.5064 1.469082 157.9885 1.671221 158.4706 1.506451 158.9528 1.529728 159.4349 2.072412 159.9170 3.634447 160.3991 4.917377 160.8812 5.321920 161.3633 5.145891 161.8455 5.171400 162.3276 5.748461 162.8097 6.561434 163.2918 7.444265 163.7739 8.439583 164.2560 9.374916 164.7382 10.21047 165.2203 10.93538 165.7024 11.50842 166.1845 11.89808 166.6666 12.13421 167.1487 12.21410 167.6309 11.81757 168.1130 11.60568 168.5951 12.00475 169.0772 12.96629 169.5593 14.19541 170.0414 15.91433 170.5236 17.69374 171.0057 18.99288 171.4878 19.46720 171.9699 19.54510 172.4520 19.35423 172.9341 18.93437 173.4163 18.79970 173.8984 19.58809 174.3805 20.89151 174.8626 21.99626 175.3447 22.57287 175.8268 22.87835 176.3090 23.15138 176.7911 23.38622 177.2732 23.64042 177.7553 23.77916 178.2374 23.74223 178.7195 23.63234 179.2017 23.35740 179.6838 23.09414 180.1659 23.15880 180.6480 23.56957 181.1301 24.06933 181.6122 24.46244 182.0944 24.75870 182.5765 24.97043 183.0586 25.19684 183.5407 25.33653 184.0228 25.08732 184.5049 24.38740 184.9871 23.65378 185.4692 23.52311 185.9513 23.87211 186.4334 24.03603 186.9155 23.47136 187.3976 22.45130 187.8798 21.93657 188.3619 22.02378 188.8440 22.35492 189.3261 22.53393 189.8082 22.56033 190.2903 22.35377 190.7725 21.69040 191.2546 20.68277 191.7367 20.07131 192.2188 19.95418 192.7009 20.05506 193.1830 19.90936 193.6652 19.51644 194.1473 19.13680 194.6294 18.98296 195.1115 19.02435 195.5936 18.81333 196.0757 18.23913 196.5579 17.55110 197.0400 17.26521 197.5221 17.41450 198.0042 17.63718 198.4863 17.75314 198.9684 17.77704 199.4506 17.80085 199.9327 17.79497 200.4148 17.80917 200.8969 18.09129 201.3790 18.71643 201.8611 19.05383 202.3433 18.60394 202.8254 17.26464 203.3075 16.41683 203.7896 16.30613 204.2717 16.62077 204.7538 16.51205 205.2360 15.81558 205.7181 15.16513 206.2002 15.01741 206.6823 15.49763 207.1644 15.60125 207.6465 15.06868 208.1287 14.20502 208.6108 13.99285 209.0929 14.63029 209.5750 15.35680 210.0571 15.69799 210.5392 15.60444 211.0214 15.43209 211.5035 15.15113 211.9856 14.81282 212.4677 14.65876 212.9498 14.79421 213.4319 14.88227 213.9140 14.64373 214.3962 13.89705 214.8783 13.48905 215.3604 13.56107 215.8425 14.01520 216.3246 14.49860 216.8067 15.12002 217.2889 15.57443 217.7710 15.62689 218.2531 15.10189 218.7352 14.67955 219.2173 14.36569 219.6994 14.19470 220.1816 14.36893 220.6637 15.05882 221.1458 15.80315 221.6279 16.30821 222.1100 16.52167 222.5921 16.63564 223.0743 16.60112 223.5564 16.47583 224.0385 16.57732 224.5206 17.07092 225.0027 17.52470 225.4848 17.63979 225.9670 17.22538 226.4491 16.95179 226.9312 16.99095 227.4133 17.22356 227.8954 17.04441 228.3775 16.27466 228.8597 15.35881 229.3418 14.57030 229.8239 13.98023 230.3060 13.36264 230.7881 12.75306 231.2702 12.10776 231.7524 11.17868 232.2345 9.660702 232.7166 8.300381 233.1987 7.618671 233.6808 8.066254 234.1629 8.176899 234.6451 7.715565 235.1272 6.837288 235.6093 6.248211 236.0914 6.179520 236.5735 6.083187 237.0556 5.618313 237.5378 4.521198 238.0199 3.641201 238.5020 3.100040 238.9841 2.809586 239.4662 2.407959 239.9483 1.741875 240.4305 1.176285 240.9126 0.9271510 241.3947 1.180946 241.8768 1.344574 242.3589 1.385319 242.8410 1.319538 243.3232 1.197723 243.8053 0.9921300 244.2874 0.7677150 244.7695 0.5619430 245.2516 0.3954850 245.7337 0.1880570 246.2159 0.1163410 246.6980 0.4589880 247.1801 0.6469800 247.6622 0.6300050 248.1443 0.5303420 248.6264 0.3945050 249.1086 0.1645010 249.5907 5.7610001E-02 250.0728 0.1352690 250.5549 0.3199460 251.0370 0.4030530 251.5191 0.3384020 252.0013 0.2412870 252.4834 0.1319200 252.9655 6.4762004E-02 253.4476 5.0934002E-02 253.9297 0.3720590 254.4118 0.9328310 254.8940 1.023071 255.3761 0.4215930 255.8582 0.2615200 256.3403 0.7942620 256.8224 1.175957 257.3046 1.391041 257.7867 1.374802 258.2688 1.229279 258.7509 1.150532 259.2330 1.161835 259.7151 1.189758 260.1973 1.202381 260.6794 1.185135 261.1615 1.219021 261.6436 1.343300 262.1257 1.484245 262.6078 1.443871 263.0900 1.013992 263.5721 0.9137610 264.0542 1.540668 264.5363 3.098389 265.0184 4.033386 265.5005 4.149147 265.9827 3.900124 266.4648 3.971363 266.9469 4.504135 267.4290 4.935566 267.9111 4.997044 268.3932 4.638962 268.8754 4.766090 269.3575 5.515938 269.8396 6.534187 270.3217 7.384731 270.8038 8.044540 271.2859 8.605511 271.7681 9.046860 272.2502 9.372791 272.7323 9.841331 273.2144 10.51653 273.6965 11.18502 274.1786 11.53249 274.6608 11.46114 275.1429 11.65290 275.6250 12.44065 276.1071 13.67953 276.5892 14.16167 277.0714 13.65950 277.5535 13.02701 278.0356 13.12249 278.5177 14.02000 278.9998 14.88763 279.4819 15.60434 279.9641 16.15532 280.4462 16.40855 280.9283 16.32608 281.4104 16.10994 281.8925 15.82745 282.3746 15.47379 282.8568 15.42640 283.3389 15.84558 283.8210 16.53408 284.3031 16.93319 284.7852 17.02276 285.2673 17.02145 285.7495 17.05093 286.2316 17.11474 286.7137 17.29510 287.1958 17.69408 287.6779 18.08125 288.1600 17.86187 288.6422 17.02550 289.1243 16.21327 289.6064 15.93472 290.0885 16.06951 290.5706 16.01387 291.0527 15.69917 291.5349 15.20695 292.0170 14.64732 292.4991 14.02327 292.9812 13.32255 293.4633 12.45521 293.9454 11.50205 294.4276 10.79852 294.9097 10.42599 295.3918 10.05022 295.8739 9.132210 296.3560 7.796196 296.8381 6.584743 297.3203 5.819389 297.8024 5.356049 298.2845 4.952484 298.7666 4.617023 299.2487 4.193584 299.7308 3.415287 300.2130 2.397762 300.6951 1.483974 301.1772 0.7777020 301.6593 0.2699010 302.1414 2.2864999E-02 302.6235 0.1010970 303.1057 8.0959000E-02 303.5878 2.3705000E-02 304.0699 0.1510960 304.5520 0.1758840 305.0341 2.1492001E-02 305.5162 0.2558290 305.9984 0.3309630 306.4805 0.2610970 306.9626 0.1522830 307.4447 3.6858000E-02 307.9268 5.6159999E-02 308.4089 8.7569997E-02 308.8911 4.3437999E-02 309.3732 5.1383998E-02 309.8553 0.3105810 310.3374 0.6409990 310.8195 0.7292020 311.3016 0.1268200 311.7838 0.6508900 312.2659 1.136993 312.7480 1.186253 313.2301 1.117462 313.7122 0.9134520 314.1943 0.7048450 314.6765 0.7875400 315.1586 1.773739 315.6407 2.755482 316.1228 3.060886 316.6049 2.422012 317.0870 1.888515 317.5692 2.000008 318.0513 2.485989 318.5334 2.960243 319.0155 3.241474 319.4976 3.544762 319.9797 4.049820 320.4619 4.789036 320.9440 5.405987 321.4261 5.707653 321.9082 5.863983 322.3903 6.034649 322.8724 6.159866 323.3546 6.416584 323.8367 6.954113 324.3188 7.740219 324.8009 8.313370 325.2830 8.428596 325.7651 8.408382 326.2473 8.462128 326.7294 8.720245 327.2115 8.944916 327.6936 9.231377 328.1757 9.484386 328.6578 9.346596 329.1400 8.378239 329.6221 7.436661 330.1042 6.898289 330.5863 7.180798 331.0684 7.113686 331.5505 6.409279 332.0327 5.423817 332.5148 4.960457 332.9969 5.304222 333.4790 5.793148 333.9611 6.284267 334.4432 6.886375 334.9254 7.000191 335.4075 6.371387 335.8896 5.465626 336.3717 4.906273 336.8538 4.738953 337.3359 4.833969 337.8180 5.257027 338.3001 5.997921 338.7823 6.467102 339.2644 6.614071 339.7465 6.584942 340.2286 6.478119 340.7107 6.270401 341.1928 6.136848 341.6750 6.114990 342.1571 6.193745 342.6392 6.342606 343.1213 6.568962 343.6034 6.833534 344.0855 7.151688 344.5677 7.515236 345.0498 7.758202 345.5319 7.838825 346.0140 7.823837 346.4961 7.815182 346.9782 7.814091 347.4604 7.853527 347.9425 7.964863 348.4246 8.134220 348.9067 8.305695 349.3888 8.472878 349.8709 8.659554 350.3531 8.897362 350.8352 9.179935 351.3173 9.482712 351.7994 9.857918 352.2815 10.22722 352.7636 10.45912 353.2458 10.55293 353.7279 10.56152 354.2100 10.47746 354.6921 10.34554 355.1742 10.24231 355.6563 10.18118 356.1385 10.16597 356.6206 10.18702 357.1027 10.25114 357.5848 10.39154 358.0669 10.67889 358.5490 11.02685 359.0312 11.37886 359.5133 11.79086 359.9954 12.05772 360.4775 11.87264 360.9596 11.46000 361.4417 11.29468 361.9239 11.82012 362.4060 12.44553 362.8881 12.86245 363.3702 13.02041 363.8523 13.04515 364.3344 12.94654 364.8166 12.75278 365.2987 12.49235 365.7808 11.99848 366.2629 11.61671 366.7450 11.56118 367.2271 11.82652 367.7093 11.80650 368.1914 11.34288 368.6735 10.62937 369.1556 9.795910 369.6377 8.401310 370.1198 7.442829 370.6020 7.248783 371.0841 7.558674 371.5662 7.416996 372.0483 6.558357 372.5304 5.573696 373.0125 4.689999 373.4947 3.934662 373.9768 3.202885 374.4589 2.402496 374.9410 1.690350 375.4231 1.422802 375.9052 1.858185 376.3874 1.992661 376.8695 1.381401 377.3516 4.5479000E-02 377.8337 0.7261310 378.3158 0.8376050 378.7979 0.6881030 379.2801 0.6206470 379.7622 0.6346280 380.2443 0.7516980 380.7264 1.037880 381.2085 1.380836 381.6906 1.459362 382.1728 1.270367 382.6549 1.010719 383.1370 0.7853550 383.6191 0.5952340 384.1012 0.4879650 384.5833 0.5079880 385.0655 0.4752960 385.5476 2.4878999E-02 386.0297 0.7201390 386.5118 1.290638 386.9939 1.194794 387.4760 0.9024280 387.9582 1.103909 388.4403 1.817886 388.9224 2.770664 389.4045 4.111496 389.8866 5.449547 390.3687 6.199821 390.8509 5.634823 391.3330 4.992771 391.8151 5.179939 392.2972 6.052189 392.7793 7.016361 393.2614 8.203808 393.7436 9.100250 394.2257 9.237297 394.7078 8.132454 395.1899 7.246342 395.6720 7.178951 396.1541 7.641632 396.6363 8.170815 397.1184 8.791615 397.6005 9.332493 398.0826 9.674812 398.5647 9.772835 399.0468 10.02802 399.5290 10.53642 400.0111 11.18507 400.4932 11.88335 400.9753 12.62497 401.4574 13.42690 401.9395 14.29038 402.4217 15.21351 402.9038 16.17294 403.3859 17.17623 403.8680 18.20543 404.3501 19.27002 404.8322 20.39226 405.3144 21.42216 405.7965 22.28732 406.2786 23.13208 406.7607 24.22214 407.2428 25.61254 407.7249 26.95107 408.2071 28.10198 408.6892 29.10445 409.1713 30.14120 409.6534 31.20538 410.1355 32.21818 410.6176 33.08019 411.0998 33.82267 411.5819 34.56626 412.0640 35.32825 412.5461 36.19427 413.0282 37.43227 413.5103 38.94630 413.9925 40.31266 414.4746 41.21252 414.9567 41.86512 415.4388 42.53192 415.9209 43.21554 416.4030 44.04351 416.8852 45.32353 417.3673 46.79649 417.8494 48.04309 418.3315 48.80006 418.8136 49.39326 419.2957 50.15038 419.7779 50.99182 420.2600 51.41722 420.7421 51.06025 421.2242 50.28087 421.7063 49.36330 422.1884 48.45845 422.6706 47.21127 423.1527 45.25710 423.6348 42.92570 424.1169 40.83173 424.5990 39.33493 425.0811 37.80045 425.5633 36.04308 426.0454 34.04189 426.5275 31.92780 427.0096 29.41698 427.4917 26.99212 427.9738 25.04774 428.4560 23.72399 428.9381 22.60108 429.4202 21.68601 429.9023 20.94334 430.3844 20.21739 430.8665 19.52523 431.3487 18.81363 431.8308 18.01006 432.3129 17.10440 432.7950 16.36911 433.2771 15.79757 433.7592 15.43005 434.2414 15.39219 434.7235 15.64978 435.2056 15.79561 435.6877 15.68372 436.1698 15.44677 436.6519 15.29836 437.1341 15.23028 437.6162 15.16684 438.0983 15.06950 438.5804 14.92120 439.0625 14.67837 439.5446 14.31295 440.0268 14.01049 440.5089 14.00203 440.9910 14.16853 441.4731 14.26712 441.9552 14.27104 442.4373 14.09300 442.9195 13.59655 443.4016 12.81468 443.8837 12.12887 444.3658 11.74838 444.8479 11.44762 445.3300 11.05381 445.8122 10.26532 446.2943 9.769066 446.7764 9.852005 447.2585 10.29830 447.7406 10.56609 448.2227 10.60895 448.7049 10.47278 449.1870 10.05709 449.6691 9.241135 450.1512 8.925537 450.6333 9.364525 451.1154 10.03118 451.5976 10.42801 452.0797 10.47810 452.5618 10.52473 453.0439 10.68224 453.5260 10.83872 454.0081 10.56913 454.4903 9.801975 454.9724 9.068550 455.4545 8.679878 455.9366 8.596043 456.4187 8.555218 456.9008 8.574299 457.3830 8.498695 457.8651 8.146431 458.3472 7.549644 458.8293 6.803047 459.3114 5.754200 459.7935 4.750626 460.2757 4.352325 460.7578 4.444023 461.2399 4.432808 461.7220 3.806248 462.2041 2.982857 462.6862 2.356022 463.1684 1.999405 463.6505 1.770653 464.1326 1.778950 464.6147 1.824013 465.0968 1.643734 465.5789 0.8008310 466.0611 9.4120003E-02 466.5432 0.1958690 467.0253 9.4521001E-02 467.5074 2.2624999E-02 467.9895 0.2794150 468.4716 0.4077910 468.9538 0.2344470 469.4359 0.5585480 469.9180 0.9292220 470.4001 0.6466060 470.8822 0.1052860 471.3643 8.1367001E-02 471.8465 0.2165450 472.3286 0.5001030 472.8107 0.6699260 473.2928 0.7221030 473.7749 0.5731890 474.2570 0.1715430 474.7392 0.1541940 475.2213 1.4931000E-02 475.7034 0.4860270 476.1855 0.6081620 476.6676 0.2273330 477.1497 0.3844450 477.6319 0.9686090 478.1140 1.497696 478.5961 1.869946 479.0782 1.939358 479.5603 1.892162 480.0424 1.951393 480.5246 2.102577 481.0067 2.226299 481.4888 2.058231 481.9709 1.938293 482.4530 2.221596 482.9352 3.096485 483.4173 4.024643 483.8994 4.819847 484.3815 5.523830 484.8636 6.200085 485.3457 6.888710 485.8279 7.543251 486.3100 8.131618 486.7921 8.634113 487.2742 9.092697 487.7563 9.422142 488.2384 9.843845 488.7206 10.47600 489.2027 11.36442 489.6848 12.36245 490.1669 13.57591 490.6490 14.78401 491.1311 15.57345 491.6133 15.85461 492.0954 16.30278 492.5775 17.20744 493.0596 18.41562 493.5417 19.30343 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